Re: [AMBER] workstation

From: Ross Walker <ross.rosswalker.co.uk>
Date: Mon, 05 Nov 2012 13:39:26 -0700

Hi Mirage,

This is a little tricky to answer since it depends what you want to
actually run. As listed it will (assuming you install Linux) run AMBER
perfectly well. I would suggest that the two 10K SAS disks are way over
rated. You don't need anything that powerful for AMBER. Basic 5400 or
7200RPM SATA drives will be fine. AMBER is not generally I/O bound. Note,
you might also want to consider a machine with a high end Graphics Card in
it. The GTX680s for example run AMBER at a speed equivalent to 8 or more
high end supercomputer nodes. The following page gives some recommended
hardware for running AMBER simulations:

http://ambermd.org/gpus/recommended_hardware.htm

This gives examples of cost effective workstations and small clusters for
running AMBER - these are optimized for both GPU AMBER and for running CPU
runs for things like Sander. Also on that page is an Amazon shopping list
if you want to buy the parts to build your own dual GPU AMBER machine for
< $2000.

Hope that helps.

All the best
Ross



On 11/5/12 9:45 AM, ". mirage" <m.o.m.live.fr> wrote:

>
>Hi, amber user's
>
>Is this work station good for do amber calculation
>
>HP Proliant DL 380 G7
>
>
>
>
>
>(470065-361)
>
>
>
>
>
>Quad Core Xeon E5620 2,40ghz
>8Go 4 X 2Go DDR3 ECC
>2 X 146 Go 10K SAS Hot Plug
>Graveur DVD Multicouche
>2 X Ethernet
>1 X 460W
>
>Thank's in advance
>
>_______________________________________________
>AMBER mailing list
>AMBER.ambermd.org
>http://lists.ambermd.org/mailman/listinfo/amber



_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Nov 05 2012 - 14:00:04 PST
Custom Search